SCHEMBL7702371

SCHEMBL7702371

O[C@@H]1CCN(c2ccc3ccccc3n2)C1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 7/20 0.69
▸ HRH3 Q9Y5N1 4/20 0.57
▸ HTR3E A5X5Y0 2/20 0.54
▸ KDM4E B2RXH2 2/20 0.54
▸ HTR3B O95264 2/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ CYP1A2 P05177 2/20 0.54
▸ HTR3A P46098 2/20 0.54
▸ HTR3D Q70Z44 2/20 0.54
▸ HTR3C Q8WXA8 2/20 0.54
▸ USP2 O75604 1/20 0.54
▸ ADRB1 P08588 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ HTR1A P08908 1/20 0.54
▸ HTR2C P28335 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ SLC6A4 P31645 1/20 0.54
▸ HTR7 P34969 1/20 0.54
▸ HTT P42858 1/20 0.54
▸ HTR6 P50406 1/20 0.54

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7707796 1.00 PDE10A (0.69) PDE10AHRH3HTR3EKDM4EHTR3B
SCHEMBL15134892 1.00 PDE10A (0.69) PDE10AHRH3HTR3EKDM4EHTR3B
SCHEMBL7708164 0.91 PDE10A (0.59) PDE10AHRH3HTR3EKDM4EHTR3B
SCHEMBL2631079 0.90 HRH3 (0.65) PDE10AHRH3HTR3EKDM4EHTR3B
SCHEMBL2631103 0.87 PDE10A (0.64) PDE10AHRH3HTR3EKDM4EHTR3B
SCHEMBL30824498 0.87 PDE10A (0.64) PDE10AHRH3HTR3EKDM4EHTR3B
SCHEMBL2595903 0.83 PDE10A (1.00) PDE10A
SCHEMBL2595907 0.83 PDE10A (1.00) PDE10A
SCHEMBL2595788 0.80 PDE10A (1.00) PDE10A
SCHEMBL16695318 0.80 NOTUM (0.57) PDE10AHRH3HTR3EKDM4EHTR3B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9376450-B2 Heteroaryloxyheterocyclyl compounds as PDE10 inhibitors AMGEN INC. (US) 2016-06-28 — — US disclosed
US-9376450-B2 Heteroaryloxyheterocyclyl compounds as PDE10 inhibitors AMGEN INC. (US) 2016-06-28 — — US disclosed
US-9376450-B2 Heteroaryloxyheterocyclyl compounds as PDE10 inhibitors AMGEN INC. (US) 2016-06-28 — — US disclosed
US-20130253186-A1 HETEROARYLOXYHETEROCYCLYL COMPOUNDS AS PDE10 INHIBITORS AMGEN INC. (US) 2013-09-26 — — US disclosed
US-8497265-B2 Heteroaryloxyheterocyclyl compounds as PDE10 inhibitors AMGEN INC. (US) 2013-07-30 — — US disclosed
US-8497265-B2 Heteroaryloxyheterocyclyl compounds as PDE10 inhibitors AMGEN INC. (US) 2013-07-30 — — US disclosed
US-8497265-B2 Heteroaryloxyheterocyclyl compounds as PDE10 inhibitors AMGEN INC. (US) 2013-07-30 — — US disclosed
WO-2011143495-A1 HETEROARYLOXYHETEROCYCLYL COMPOUNDS AS PDE10 INHIBITORS AMGEN INC. (US) 2011-11-17 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130253186-A1 HETEROARYLOXYHETEROCYCLYL COMPOUNDS AS PDE10 INHIBITORS PDE10A, PDE9A, PDE7A PDE10A 1/4885HRH3 4487/4885HTR3E 650/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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